N-[(3-heptoxyphenyl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(3-heptoxyphenyl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(3-heptoxyphenyl)thiocarbamoyl]-2-phenyl-acetamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-2-3-4-5-9-15-26-20-14-10-13-19(17-20)23-22(27)24-21(25)16-18-11-7-6-8-12-18/h6-8,10-14,17H,2-5,9,15-16H2,1H3,(H2,23,24,25,27)